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DSC-ZINC00478338

 MMsINC code: MMs01221659
Type: Neutral
Formula: C11H13OP
SMILES:   P1(=O)(CC(=CC1)C)c1ccccc1
InChI:   InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=43.7522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.198 g/mol  logS: -1.59773  SlogP: 1.5647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874951  Sterimol/B1: 3.19454  Sterimol/B2: 3.3078  Sterimol/B3: 3.57223
  Sterimol/B4: 4.90717  Sterimol/L: 12.6383 
 
 Surface and Volume Properties
  Accessible surface: 401.754  Positive charged surface: 225.258  Negative charged surface: 176.496  Volume: 193.375
  Hydrophobic surface: 349.849  Hydrophilic surface: 51.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.